(Z)-4-(benzenesulfonyl)-2-phenylbut-2-en-1-ol

C16H16O3S — CID 132580999

IUPAC(Z)-4-(benzenesulfonyl)-2-phenylbut-2-en-1-ol
SMILESO=S(=O)(C/C=C(\CO)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16O3S/c17-13-15(14-7-3-1-4-8-14)11-12-20(18,19)16-9-5-2-6-10-16/h1-11,17H,12-13H2/b15-11+
InChIKeyJRTFKFSPJSQJGX-RVDMUPIBSA-N
MW288.37 g/mol
LogP2.54
Rot. Bonds5

About (Z)-4-(benzenesulfonyl)-2-phenylbut-2-en-1-ol

(Z)-4-(benzenesulfonyl)-2-phenylbut-2-en-1-ol (PubChem CID 132580999) has the molecular formula C16H16O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is (Z)-4-(benzenesulfonyl)-2-phenylbut-2-en-1-ol.

Molecular Properties

Compound Name(Z)-4-(benzenesulfonyl)-2-phenylbut-2-en-1-ol
PubChem CID132580999
Molecular FormulaC16H16O3S
Molecular Weight288.37 g/mol
Exact Mass288.08
IUPAC Name(Z)-4-(benzenesulfonyl)-2-phenylbut-2-en-1-ol
SMILESO=S(=O)(C/C=C(\CO)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16O3S/c17-13-15(14-7-3-1-4-8-14)11-12-20(18,19)16-9-5-2-6-10-16/h1-11,17H,12-13H2/b15-11+
InChIKeyJRTFKFSPJSQJGX-RVDMUPIBSA-N
XLogP2.54
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-4-(benzenesulfonyl)but-2-en-1-ol
CID 102081679
(E)-4-(benzenesulfonyl)-2-methylbut-2-enoic acid
CID 10399384
[5-(benzenesulfonyl)-3-methylpenta-1,3-dienyl]benzene
CID 73004123
10-(benzenesulfonyl)-4,8-dimethyldeca-4,8-dien-1-ol
CID 71349271
[(2E)-3,4-bis(benzenesulfonyl)-5-methylhexa-2,4-dienyl]sulfonylbenzene
CID 17373692
[(E)-4-(benzenesulfonyl)-2-methylbut-2-enyl] acetate
CID 13382269
[(E)-3-methyldodec-2-enyl]sulfonylbenzene
CID 10990909
N-[(E)-[(E)-4-(benzenesulfonyl)-2-methylbut-2-enylidene]amino]-N-methylmethanamine
CID 142727782
1-methyl-4-[(Z)-3-methyl-4-phenylbut-2-enyl]sulfonylbenzene
CID 134900740
3-(benzenesulfonyl)-2-oxopropanoic acid
CID 91929914
(Z)-4-anilino-2-phenylbut-2-en-1-ol
CID 177431332
fluorobenzene;prop-2-enylsulfonylbenzene
CID 174649158

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(benzenesulfonyl)-2-phenylbut-2-en-1-ol?
The IUPAC name of (Z)-4-(benzenesulfonyl)-2-phenylbut-2-en-1-ol (CID 132580999) is (Z)-4-(benzenesulfonyl)-2-phenylbut-2-en-1-ol.
What is the SMILES notation for (Z)-4-(benzenesulfonyl)-2-phenylbut-2-en-1-ol?
The canonical SMILES for (Z)-4-(benzenesulfonyl)-2-phenylbut-2-en-1-ol is O=S(=O)(C/C=C(\CO)c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-4-(benzenesulfonyl)-2-phenylbut-2-en-1-ol?
The InChIKey is JRTFKFSPJSQJGX-RVDMUPIBSA-N. The full InChI is InChI=1S/C16H16O3S/c17-13-15(14-7-3-1-4-8-14)11-12-20(18,19)16-9-5-2-6-10-16/h1-11,17H,12-13H2/b15-11+.
What are the key properties of (Z)-4-(benzenesulfonyl)-2-phenylbut-2-en-1-ol?
(Z)-4-(benzenesulfonyl)-2-phenylbut-2-en-1-ol has a molecular weight of 288.37 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(benzenesulfonyl)-2-phenylbut-2-en-1-ol is sourced from PubChem (CID 132580999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).